methane;3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoic acid

C25H28O3 — CID 162205972

IUPACmethane;3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoic acid
SMILESC.COc1ccc(-c2ccc(-c3cccc(C)c3)c(C)c2)c(CCC(=O)O)c1
InChIInChI=1S/C24H24O3.CH4/c1-16-5-4-6-18(13-16)22-10-7-19(14-17(22)2)23-11-9-21(27-3)15-20(23)8-12-24(25)26;/h4-7,9-11,13-15H,8,12H2,1-3H3,(H,25,26);1H4
InChIKeyZSEPXMNVOGXULN-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.30
Rot. Bonds6

About methane;3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoic acid

methane;3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoic acid (PubChem CID 162205972) has the molecular formula C25H28O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is methane;3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoic acid.

Molecular Properties

Compound Namemethane;3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoic acid
PubChem CID162205972
Molecular FormulaC25H28O3
Molecular Weight376.50 g/mol
Exact Mass376.20
IUPAC Namemethane;3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoic acid
SMILESC.COc1ccc(-c2ccc(-c3cccc(C)c3)c(C)c2)c(CCC(=O)O)c1
InChIInChI=1S/C24H24O3.CH4/c1-16-5-4-6-18(13-16)22-10-7-19(14-17(22)2)23-11-9-21(27-3)15-20(23)8-12-24(25)26;/h4-7,9-11,13-15H,8,12H2,1-3H3,(H,25,26);1H4
InChIKeyZSEPXMNVOGXULN-UHFFFAOYSA-N
XLogP6.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoate
CID 52918587
3-[5-hydroxy-2-[3-(hydroxymethyl)-4-(3-methylphenyl)phenyl]phenyl]propanoic acid;methane
CID 162130396
3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methylphenyl]propanoic acid
CID 118198119
ethyl 3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methoxyphenyl]propanoate
CID 118198123
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634
(E)-3-[2-[4-[3-(hydroxymethyl)phenyl]-3-methylphenyl]-5-methoxyphenyl]prop-2-enoic acid
CID 130342948
(Z)-3-amino-N-[[5-methoxy-2-(3-methylphenyl)phenyl]methyl]-2-sulfanylbut-2-enamide
CID 142191015
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoic acid
CID 72700783
5-methoxy-2-(3-methylphenyl)benzaldehyde
CID 90346664
3-[2-(dimethylamino)-5-methoxyphenyl]propanoic acid
CID 117319605
3-[4-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]propanoic acid
CID 22687548

Frequently Asked Questions

What is the IUPAC name of methane;3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoic acid?
The IUPAC name of methane;3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoic acid (CID 162205972) is methane;3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoic acid.
What is the SMILES notation for methane;3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoic acid?
The canonical SMILES for methane;3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoic acid is C.COc1ccc(-c2ccc(-c3cccc(C)c3)c(C)c2)c(CCC(=O)O)c1.
What is the InChIKey of methane;3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoic acid?
The InChIKey is ZSEPXMNVOGXULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3.CH4/c1-16-5-4-6-18(13-16)22-10-7-19(14-17(22)2)23-11-9-21(27-3)15-20(23)8-12-24(25)26;/h4-7,9-11,13-15H,8,12H2,1-3H3,(H,25,26);1H4.
What are the key properties of methane;3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoic acid?
methane;3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoic acid has a molecular weight of 376.50 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-[5-methoxy-2-[3-methyl-4-(3-methylphenyl)phenyl]phenyl]propanoic acid is sourced from PubChem (CID 162205972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).